4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine

C11H17N7 — CID 80773693

IUPAC4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CC)c1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C11H17N7/c1-3-6-17(4-2)10-14-9(12)15-11(16-10)18-7-5-13-8-18/h5,7-8H,3-4,6H2,1-2H3,(H2,12,14,15,16)
InChIKeyHYZJFPOBGRSZEV-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.88
Rot. Bonds5

About 4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80773693) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80773693
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CC)c1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C11H17N7/c1-3-6-17(4-2)10-14-9(12)15-11(16-10)18-7-5-13-8-18/h5,7-8H,3-4,6H2,1-2H3,(H2,12,14,15,16)
InChIKeyHYZJFPOBGRSZEV-UHFFFAOYSA-N
XLogP0.88
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80764046
2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propylamino]ethanol
CID 80796446
4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80779658
4-hydrazinyl-6-imidazol-1-yl-N,N-dipropyl-1,3,5-triazin-2-amine
CID 80931860
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-ethylamino]ethanol
CID 62862670
2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 80810035
6-imidazol-1-yl-4-N-methyl-4-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849549
6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80820982
N-(cyclopropylmethyl)-4-hydrazinyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80900414
6-imidazol-1-yl-4-N-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80798257
4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80815490
3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856191

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80773693) is 4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCN(CC)c1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HYZJFPOBGRSZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-3-6-17(4-2)10-14-9(12)15-11(16-10)18-7-5-13-8-18/h5,7-8H,3-4,6H2,1-2H3,(H2,12,14,15,16).
What are the key properties of 4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 247.31 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-imidazol-1-yl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80773693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).